Glycoside
GD018588
Name:
NoneFormula:
C27H26O7N4Smiles:
COc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1Aglycone:
COc1ncnc2c1N=C[N]2.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.53 | Num_heavy_atoms: | 38 |
| TPSA: | 134.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD01211
Formula: C6H5ON4
Smiles:
COc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
